USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 341 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 209 CYS SG : rot 61:sc= -1.82! USER MOD Set 1.2: A 220 CYS SG : rot 174:sc= 0.343 USER MOD Set 1.3: A 226 CYS SG : rot -174:sc= -4.89! USER MOD Set 1.4: A 229 HIS : no HD1:sc= -9.85! C(o=-21!,f=-18!) USER MOD Set 1.5: A 230 THR OG1 : rot 180:sc= 0.0172 USER MOD Set 1.6: A 233 GLN : amide:sc= -4.71! K(o=-21!,f=-18) USER MOD Single : A 203 SER OG : rot 55:sc= 0.7 USER MOD Single : A 206 THR OG1 : rot 95:sc= 0.863 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -0.898! K(o=-0.9!,f=-0.2) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl -170:sc= -0.163 (180deg=-0.498) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.00451 USER MOD Single : A 223 SER OG : rot 29:sc= 1.32 USER MOD Single : A 228 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.41) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.825 -0.705 14.439 1.00 0.00 N ATOM 2 CA PRO A 198 50.947 -0.264 13.047 1.00 0.00 C ATOM 3 C PRO A 198 51.691 1.068 12.894 1.00 0.00 C ATOM 4 O PRO A 198 52.341 1.296 11.880 1.00 0.00 O ATOM 5 CB PRO A 198 49.492 -0.122 12.571 1.00 0.00 C ATOM 6 CG PRO A 198 48.682 -0.064 13.817 1.00 0.00 C ATOM 7 CD PRO A 198 49.418 -0.889 14.821 1.00 0.00 C ATOM 0 HA PRO A 198 51.533 -0.975 12.465 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.359 0.779 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.197 -0.966 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.570 0.964 14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.679 -0.456 13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.229 -0.548 15.839 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.122 -1.937 14.776 1.00 0.00 H new ATOM 15 N GLU A 199 51.619 1.925 13.909 1.00 0.00 N ATOM 16 CA GLU A 199 52.273 3.237 13.857 1.00 0.00 C ATOM 17 C GLU A 199 53.783 3.077 13.879 1.00 0.00 C ATOM 18 O GLU A 199 54.499 3.686 13.081 1.00 0.00 O ATOM 19 CB GLU A 199 51.857 4.165 15.022 1.00 0.00 C ATOM 20 CG GLU A 199 50.371 4.510 15.136 1.00 0.00 C ATOM 21 CD GLU A 199 49.485 3.321 15.392 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.835 2.474 16.248 1.00 0.00 O ATOM 23 OE2 GLU A 199 48.423 3.214 14.761 1.00 0.00 O ATOM 0 H GLU A 199 51.117 1.739 14.777 1.00 0.00 H new ATOM 0 HA GLU A 199 51.949 3.701 12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.169 3.698 15.956 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.415 5.097 14.929 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.237 5.231 15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.050 4.998 14.216 1.00 0.00 H new ATOM 30 N GLU A 200 54.276 2.245 14.777 1.00 0.00 N ATOM 31 CA GLU A 200 55.660 2.036 14.902 1.00 0.00 C ATOM 32 C GLU A 200 56.173 1.129 13.811 1.00 0.00 C ATOM 33 O GLU A 200 57.324 1.197 13.433 1.00 0.00 O ATOM 34 CB GLU A 200 55.951 1.528 16.258 1.00 0.00 C ATOM 35 CG GLU A 200 55.423 0.157 16.591 1.00 0.00 C ATOM 36 CD GLU A 200 55.586 -0.175 18.046 1.00 0.00 C ATOM 37 OE1 GLU A 200 56.719 -0.443 18.498 1.00 0.00 O ATOM 38 OE2 GLU A 200 54.576 -0.200 18.773 1.00 0.00 O ATOM 0 H GLU A 200 53.706 1.706 15.429 1.00 0.00 H new ATOM 0 HA GLU A 200 56.191 2.980 14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.032 1.519 16.394 1.00 0.00 H new ATOM 0 HB3 GLU A 200 55.545 2.235 16.981 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.368 0.101 16.323 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.945 -0.587 15.989 1.00 0.00 H new ATOM 45 N LEU A 201 55.304 0.294 13.308 1.00 0.00 N ATOM 46 CA LEU A 201 55.594 -0.483 12.124 1.00 0.00 C ATOM 47 C LEU A 201 55.844 0.459 10.943 1.00 0.00 C ATOM 48 O LEU A 201 56.784 0.305 10.174 1.00 0.00 O ATOM 49 CB LEU A 201 54.434 -1.428 11.833 1.00 0.00 C ATOM 50 CG LEU A 201 54.395 -1.967 10.423 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.981 -3.398 10.410 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.429 -1.173 9.577 1.00 0.00 C ATOM 0 H LEU A 201 54.378 0.131 13.702 1.00 0.00 H new ATOM 0 HA LEU A 201 56.491 -1.081 12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.485 -2.267 12.527 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.499 -0.905 12.033 1.00 0.00 H new ATOM 0 HG LEU A 201 55.401 -1.879 10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.961 -3.762 9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.691 -3.988 10.990 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.987 -3.493 10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.415 -1.577 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.430 -1.238 10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.744 -0.130 9.547 1.00 0.00 H new ATOM 64 N ARG A 202 54.973 1.419 10.821 1.00 0.00 N ATOM 65 CA ARG A 202 55.053 2.474 9.864 1.00 0.00 C ATOM 66 C ARG A 202 56.328 3.275 10.078 1.00 0.00 C ATOM 67 O ARG A 202 56.922 3.782 9.127 1.00 0.00 O ATOM 68 CB ARG A 202 53.793 3.305 10.021 1.00 0.00 C ATOM 69 CG ARG A 202 53.737 4.590 9.274 1.00 0.00 C ATOM 70 CD ARG A 202 52.319 5.149 9.315 1.00 0.00 C ATOM 71 NE ARG A 202 52.157 6.387 8.545 1.00 0.00 N ATOM 72 CZ ARG A 202 50.972 6.923 8.197 1.00 0.00 C ATOM 73 NH1 ARG A 202 49.828 6.359 8.609 1.00 0.00 N ATOM 74 NH2 ARG A 202 50.937 8.028 7.464 1.00 0.00 N ATOM 0 H ARG A 202 54.149 1.486 11.418 1.00 0.00 H new ATOM 0 HA ARG A 202 55.107 2.100 8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 202 52.944 2.696 9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.660 3.523 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.433 5.306 9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.047 4.434 8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 202 51.629 4.398 8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.040 5.336 10.352 1.00 0.00 H new ATOM 0 HE ARG A 202 53.003 6.877 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 202 49.853 5.520 9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 202 48.933 6.769 8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 202 51.807 8.470 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 202 50.041 8.436 7.199 1.00 0.00 H new ATOM 88 N SER A 203 56.754 3.347 11.323 1.00 0.00 N ATOM 89 CA SER A 203 58.019 3.969 11.659 1.00 0.00 C ATOM 90 C SER A 203 59.195 3.056 11.201 1.00 0.00 C ATOM 91 O SER A 203 60.202 3.547 10.681 1.00 0.00 O ATOM 92 CB SER A 203 58.099 4.247 13.168 1.00 0.00 C ATOM 93 OG SER A 203 56.970 5.009 13.621 1.00 0.00 O ATOM 0 H SER A 203 56.239 2.980 12.123 1.00 0.00 H new ATOM 0 HA SER A 203 58.094 4.923 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.144 3.303 13.711 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.018 4.788 13.392 1.00 0.00 H new ATOM 0 HG SER A 203 56.142 4.546 13.374 1.00 0.00 H new ATOM 99 N LEU A 204 59.026 1.731 11.369 1.00 0.00 N ATOM 100 CA LEU A 204 60.015 0.713 10.984 1.00 0.00 C ATOM 101 C LEU A 204 60.403 0.873 9.522 1.00 0.00 C ATOM 102 O LEU A 204 61.569 1.120 9.205 1.00 0.00 O ATOM 103 CB LEU A 204 59.444 -0.719 11.252 1.00 0.00 C ATOM 104 CG LEU A 204 60.419 -1.916 11.063 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.075 -3.035 11.992 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.372 -2.466 9.643 1.00 0.00 C ATOM 0 H LEU A 204 58.183 1.334 11.783 1.00 0.00 H new ATOM 0 HA LEU A 204 60.911 0.848 11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.067 -0.747 12.274 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.589 -0.871 10.593 1.00 0.00 H new ATOM 0 HG LEU A 204 61.417 -1.534 11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.771 -3.860 11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.144 -2.687 13.023 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.059 -3.375 11.791 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.067 -3.301 9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.362 -2.809 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.653 -1.682 8.940 1.00 0.00 H new ATOM 118 N LEU A 205 59.404 0.824 8.657 1.00 0.00 N ATOM 119 CA LEU A 205 59.581 0.887 7.191 1.00 0.00 C ATOM 120 C LEU A 205 60.216 2.188 6.656 1.00 0.00 C ATOM 121 O LEU A 205 60.342 2.360 5.448 1.00 0.00 O ATOM 122 CB LEU A 205 58.258 0.603 6.455 1.00 0.00 C ATOM 123 CG LEU A 205 57.850 -0.877 6.244 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.878 -1.605 5.399 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.654 -1.603 7.551 1.00 0.00 C ATOM 0 H LEU A 205 58.429 0.738 8.943 1.00 0.00 H new ATOM 0 HA LEU A 205 60.305 0.101 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.457 1.096 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.311 1.078 5.476 1.00 0.00 H new ATOM 0 HG LEU A 205 56.895 -0.870 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.570 -2.642 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.958 -1.121 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.846 -1.576 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.369 -2.636 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.583 -1.585 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.868 -1.113 8.125 1.00 0.00 H new ATOM 137 N THR A 206 60.579 3.097 7.530 1.00 0.00 N ATOM 138 CA THR A 206 61.244 4.293 7.133 1.00 0.00 C ATOM 139 C THR A 206 62.753 4.012 6.932 1.00 0.00 C ATOM 140 O THR A 206 63.426 4.665 6.120 1.00 0.00 O ATOM 141 CB THR A 206 61.065 5.344 8.227 1.00 0.00 C ATOM 142 OG1 THR A 206 59.690 5.353 8.644 1.00 0.00 O ATOM 143 CG2 THR A 206 61.422 6.706 7.715 1.00 0.00 C ATOM 0 H THR A 206 60.417 3.018 8.534 1.00 0.00 H new ATOM 0 HA THR A 206 60.820 4.654 6.196 1.00 0.00 H new ATOM 0 HB THR A 206 61.720 5.097 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.582 4.776 9.429 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.288 7.440 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.462 6.711 7.388 1.00 0.00 H new ATOM 0 HG23 THR A 206 60.776 6.959 6.874 1.00 0.00 H new ATOM 151 N THR A 207 63.273 3.045 7.673 1.00 0.00 N ATOM 152 CA THR A 207 64.692 2.735 7.614 1.00 0.00 C ATOM 153 C THR A 207 64.954 1.204 7.694 1.00 0.00 C ATOM 154 O THR A 207 65.977 0.716 7.208 1.00 0.00 O ATOM 155 CB THR A 207 65.476 3.502 8.736 1.00 0.00 C ATOM 156 OG1 THR A 207 66.893 3.336 8.583 1.00 0.00 O ATOM 157 CG2 THR A 207 65.067 3.025 10.118 1.00 0.00 C ATOM 0 H THR A 207 62.737 2.465 8.318 1.00 0.00 H new ATOM 0 HA THR A 207 65.061 3.074 6.646 1.00 0.00 H new ATOM 0 HB THR A 207 65.225 4.558 8.634 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.358 3.825 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.628 3.575 10.874 1.00 0.00 H new ATOM 0 HG22 THR A 207 64.000 3.197 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.279 1.960 10.213 1.00 0.00 H new ATOM 165 N GLN A 208 64.025 0.468 8.278 1.00 0.00 N ATOM 166 CA GLN A 208 64.131 -0.966 8.436 1.00 0.00 C ATOM 167 C GLN A 208 63.474 -1.652 7.248 1.00 0.00 C ATOM 168 O GLN A 208 62.370 -1.301 6.873 1.00 0.00 O ATOM 169 CB GLN A 208 63.461 -1.377 9.750 1.00 0.00 C ATOM 170 CG GLN A 208 64.183 -0.894 11.004 1.00 0.00 C ATOM 171 CD GLN A 208 65.421 -1.702 11.316 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.411 -1.182 11.847 1.00 0.00 O ATOM 173 NE2 GLN A 208 65.349 -2.981 11.077 1.00 0.00 N ATOM 0 H GLN A 208 63.164 0.859 8.661 1.00 0.00 H new ATOM 0 HA GLN A 208 65.178 -1.268 8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.442 -0.990 9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.390 -2.464 9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.460 0.153 10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.500 -0.942 11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.515 -3.372 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 208 66.126 -3.592 11.329 1.00 0.00 H new ATOM 182 N CYS A 209 64.201 -2.615 6.684 1.00 0.00 N ATOM 183 CA CYS A 209 63.867 -3.397 5.474 1.00 0.00 C ATOM 184 C CYS A 209 62.395 -3.749 5.427 1.00 0.00 C ATOM 185 O CYS A 209 61.666 -3.206 4.616 1.00 0.00 O ATOM 186 CB CYS A 209 64.788 -4.666 5.418 1.00 0.00 C ATOM 187 SG CYS A 209 65.206 -5.311 3.759 1.00 0.00 S ATOM 0 H CYS A 209 65.099 -2.895 7.078 1.00 0.00 H new ATOM 0 HA CYS A 209 64.055 -2.792 4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.718 -4.433 5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.301 -5.464 5.980 1.00 0.00 H new ATOM 0 HG CYS A 209 65.853 -4.403 3.091 1.00 0.00 H new ATOM 192 N GLY A 210 61.982 -4.672 6.240 1.00 0.00 N ATOM 193 CA GLY A 210 60.609 -4.992 6.356 1.00 0.00 C ATOM 194 C GLY A 210 60.102 -5.780 5.197 1.00 0.00 C ATOM 195 O GLY A 210 58.940 -5.963 5.049 1.00 0.00 O ATOM 0 H GLY A 210 62.597 -5.222 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.448 -5.558 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.032 -4.072 6.445 1.00 0.00 H new ATOM 199 N VAL A 211 60.990 -6.276 4.363 1.00 0.00 N ATOM 200 CA VAL A 211 60.526 -7.071 3.275 1.00 0.00 C ATOM 201 C VAL A 211 60.105 -8.434 3.726 1.00 0.00 C ATOM 202 O VAL A 211 60.874 -9.159 4.341 1.00 0.00 O ATOM 203 CB VAL A 211 61.556 -7.112 2.193 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.882 -7.483 2.669 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.126 -7.818 0.923 1.00 0.00 C ATOM 0 H VAL A 211 62.000 -6.144 4.421 1.00 0.00 H new ATOM 0 HA VAL A 211 59.632 -6.607 2.859 1.00 0.00 H new ATOM 0 HB VAL A 211 61.650 -6.074 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.580 -7.493 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.217 -6.760 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.842 -8.475 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.941 -7.794 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.872 -8.853 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.255 -7.315 0.504 1.00 0.00 H new ATOM 215 N ILE A 212 58.874 -8.722 3.479 1.00 0.00 N ATOM 216 CA ILE A 212 58.271 -9.948 3.865 1.00 0.00 C ATOM 217 C ILE A 212 58.725 -11.037 2.939 1.00 0.00 C ATOM 218 O ILE A 212 58.441 -11.005 1.745 1.00 0.00 O ATOM 219 CB ILE A 212 56.735 -9.831 3.804 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.265 -8.662 4.680 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.096 -11.143 4.262 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.827 -8.261 4.455 1.00 0.00 C ATOM 0 H ILE A 212 58.241 -8.091 2.988 1.00 0.00 H new ATOM 0 HA ILE A 212 58.567 -10.183 4.887 1.00 0.00 H new ATOM 0 HB ILE A 212 56.428 -9.637 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.396 -8.932 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.905 -7.800 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.011 -11.054 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.421 -11.953 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.400 -11.358 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.574 -7.429 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.692 -7.957 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.175 -9.107 4.673 1.00 0.00 H new ATOM 313 N LYS A 218 57.967 -13.202 7.382 1.00 0.00 N ATOM 314 CA LYS A 218 57.497 -11.889 7.756 1.00 0.00 C ATOM 315 C LYS A 218 58.526 -10.832 7.405 1.00 0.00 C ATOM 316 O LYS A 218 59.413 -11.087 6.564 1.00 0.00 O ATOM 317 CB LYS A 218 57.035 -11.843 9.219 1.00 0.00 C ATOM 318 CG LYS A 218 55.814 -12.702 9.446 1.00 0.00 C ATOM 319 CD LYS A 218 55.311 -12.620 10.859 1.00 0.00 C ATOM 320 CE LYS A 218 54.063 -13.469 11.016 1.00 0.00 C ATOM 321 NZ LYS A 218 53.552 -13.463 12.388 1.00 0.00 N ATOM 0 HA LYS A 218 56.607 -11.658 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.844 -12.181 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 218 56.813 -10.813 9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 218 55.023 -12.392 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 218 56.053 -13.738 9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 218 56.083 -12.962 11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 218 55.091 -11.584 11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 218 53.290 -13.101 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 218 54.284 -14.494 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 52.700 -14.057 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 54.278 -13.839 13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 53.314 -12.489 12.666 1.00 0.00 H new ATOM 335 N MET A 219 58.379 -9.659 7.970 1.00 0.00 N ATOM 336 CA MET A 219 59.244 -8.526 7.666 1.00 0.00 C ATOM 337 C MET A 219 60.739 -8.757 7.928 1.00 0.00 C ATOM 338 O MET A 219 61.133 -9.397 8.902 1.00 0.00 O ATOM 339 CB MET A 219 58.767 -7.264 8.361 1.00 0.00 C ATOM 340 CG MET A 219 57.590 -6.602 7.696 1.00 0.00 C ATOM 341 SD MET A 219 57.322 -4.929 8.288 1.00 0.00 S ATOM 342 CE MET A 219 57.223 -5.202 10.035 1.00 0.00 C ATOM 0 H MET A 219 57.655 -9.454 8.658 1.00 0.00 H new ATOM 0 HA MET A 219 59.159 -8.402 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.500 -7.508 9.389 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.592 -6.553 8.406 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.749 -6.582 6.618 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.694 -7.196 7.875 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.883 -4.291 10.527 1.00 0.00 H new ATOM 0 HE2 MET A 219 56.518 -6.008 10.238 1.00 0.00 H new ATOM 0 HE3 MET A 219 58.207 -5.475 10.417 1.00 0.00 H new ATOM 352 N CYS A 220 61.566 -8.241 7.016 1.00 0.00 N ATOM 353 CA CYS A 220 63.018 -8.352 7.131 1.00 0.00 C ATOM 354 C CYS A 220 63.582 -7.329 8.138 1.00 0.00 C ATOM 355 O CYS A 220 63.224 -6.162 8.089 1.00 0.00 O ATOM 356 CB CYS A 220 63.630 -8.181 5.777 1.00 0.00 C ATOM 357 SG CYS A 220 65.354 -8.457 5.738 1.00 0.00 S ATOM 0 H CYS A 220 61.250 -7.740 6.186 1.00 0.00 H new ATOM 0 HA CYS A 220 63.272 -9.340 7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.147 -8.867 5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.426 -7.171 5.422 1.00 0.00 H new ATOM 0 HG CYS A 220 65.771 -8.423 4.507 1.00 0.00 H new ATOM 362 N THR A 221 64.542 -7.742 8.948 1.00 0.00 N ATOM 363 CA THR A 221 64.934 -6.978 10.140 1.00 0.00 C ATOM 364 C THR A 221 66.195 -6.100 10.010 1.00 0.00 C ATOM 365 O THR A 221 66.562 -5.404 10.947 1.00 0.00 O ATOM 366 CB THR A 221 65.058 -7.944 11.307 1.00 0.00 C ATOM 367 OG1 THR A 221 65.952 -9.017 10.926 1.00 0.00 O ATOM 368 CG2 THR A 221 63.692 -8.521 11.614 1.00 0.00 C ATOM 0 H THR A 221 65.071 -8.603 8.809 1.00 0.00 H new ATOM 0 HA THR A 221 64.143 -6.245 10.300 1.00 0.00 H new ATOM 0 HB THR A 221 65.446 -7.428 12.185 1.00 0.00 H new ATOM 0 HG1 THR A 221 66.043 -9.647 11.671 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.770 -9.216 12.450 1.00 0.00 H new ATOM 0 HG22 THR A 221 63.007 -7.715 11.875 1.00 0.00 H new ATOM 0 HG23 THR A 221 63.315 -9.049 10.738 1.00 0.00 H new ATOM 376 N ARG A 222 66.870 -6.144 8.891 1.00 0.00 N ATOM 377 CA ARG A 222 67.968 -5.201 8.663 1.00 0.00 C ATOM 378 C ARG A 222 67.415 -3.904 8.095 1.00 0.00 C ATOM 379 O ARG A 222 66.203 -3.748 8.029 1.00 0.00 O ATOM 380 CB ARG A 222 68.978 -5.800 7.731 1.00 0.00 C ATOM 381 CG ARG A 222 69.765 -6.918 8.379 1.00 0.00 C ATOM 382 CD ARG A 222 70.807 -6.393 9.355 1.00 0.00 C ATOM 383 NE ARG A 222 71.778 -5.511 8.689 1.00 0.00 N ATOM 384 CZ ARG A 222 72.921 -5.069 9.219 1.00 0.00 C ATOM 385 NH1 ARG A 222 73.273 -5.428 10.444 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.713 -4.272 8.503 1.00 0.00 N ATOM 0 H ARG A 222 66.696 -6.801 8.131 1.00 0.00 H new ATOM 0 HA ARG A 222 68.464 -4.987 9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.470 -6.182 6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.664 -5.023 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 222 69.081 -7.585 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 222 70.257 -7.509 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 222 70.312 -5.848 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 222 71.331 -7.231 9.814 1.00 0.00 H new ATOM 0 HE ARG A 222 71.559 -5.211 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.670 -6.045 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 222 74.147 -5.087 10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 222 73.445 -4.003 7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 222 74.588 -3.931 8.902 1.00 0.00 H new ATOM 400 N SER A 223 68.270 -2.996 7.663 1.00 0.00 N ATOM 401 CA SER A 223 67.826 -1.746 7.050 1.00 0.00 C ATOM 402 C SER A 223 67.255 -2.056 5.645 1.00 0.00 C ATOM 403 O SER A 223 67.302 -3.192 5.213 1.00 0.00 O ATOM 404 CB SER A 223 69.001 -0.753 6.987 1.00 0.00 C ATOM 405 OG SER A 223 68.601 0.542 6.557 1.00 0.00 O ATOM 0 H SER A 223 69.283 -3.097 7.723 1.00 0.00 H new ATOM 0 HA SER A 223 67.039 -1.283 7.646 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.462 -0.678 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.761 -1.138 6.308 1.00 0.00 H new ATOM 0 HG SER A 223 67.670 0.700 6.818 1.00 0.00 H new ATOM 411 N LEU A 224 66.690 -1.078 4.971 1.00 0.00 N ATOM 412 CA LEU A 224 66.061 -1.259 3.638 1.00 0.00 C ATOM 413 C LEU A 224 67.029 -1.928 2.670 1.00 0.00 C ATOM 414 O LEU A 224 66.785 -3.052 2.182 1.00 0.00 O ATOM 415 CB LEU A 224 65.687 0.104 3.093 1.00 0.00 C ATOM 416 CG LEU A 224 64.854 0.990 4.023 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.633 2.305 3.388 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.518 0.359 4.353 1.00 0.00 C ATOM 0 H LEU A 224 66.643 -0.120 5.317 1.00 0.00 H new ATOM 0 HA LEU A 224 65.180 -1.891 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.604 0.637 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.133 -0.037 2.165 1.00 0.00 H new ATOM 0 HG LEU A 224 65.408 1.109 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.040 2.934 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.594 2.783 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.102 2.169 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 224 62.957 1.019 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.953 0.202 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.680 -0.599 4.848 1.00 0.00 H new ATOM 430 N ARG A 225 68.184 -1.309 2.551 1.00 0.00 N ATOM 431 CA ARG A 225 69.258 -1.670 1.620 1.00 0.00 C ATOM 432 C ARG A 225 70.061 -2.866 2.089 1.00 0.00 C ATOM 433 O ARG A 225 71.169 -3.112 1.621 1.00 0.00 O ATOM 434 CB ARG A 225 70.141 -0.452 1.387 1.00 0.00 C ATOM 435 CG ARG A 225 70.709 0.185 2.636 1.00 0.00 C ATOM 436 CD ARG A 225 71.940 -0.510 3.181 1.00 0.00 C ATOM 437 NE ARG A 225 72.526 0.262 4.279 1.00 0.00 N ATOM 438 CZ ARG A 225 73.690 0.018 4.894 1.00 0.00 C ATOM 439 NH1 ARG A 225 74.434 -1.030 4.560 1.00 0.00 N ATOM 440 NH2 ARG A 225 74.090 0.824 5.864 1.00 0.00 N ATOM 0 H ARG A 225 68.422 -0.499 3.124 1.00 0.00 H new ATOM 0 HA ARG A 225 68.807 -1.976 0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.968 -0.742 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 225 69.562 0.298 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.958 1.224 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.939 0.195 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.675 -1.508 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.675 -0.636 2.386 1.00 0.00 H new ATOM 0 HE ARG A 225 71.993 1.067 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 225 74.121 -1.664 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 225 75.318 -1.201 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 225 73.514 1.620 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 225 74.975 0.649 6.340 1.00 0.00 H new ATOM 454 N CYS A 226 69.474 -3.586 2.993 1.00 0.00 N ATOM 455 CA CYS A 226 69.991 -4.774 3.585 1.00 0.00 C ATOM 456 C CYS A 226 70.745 -5.751 2.599 1.00 0.00 C ATOM 457 O CYS A 226 71.935 -5.959 2.772 1.00 0.00 O ATOM 458 CB CYS A 226 68.798 -5.355 4.275 1.00 0.00 C ATOM 459 SG CYS A 226 68.563 -7.081 4.307 1.00 0.00 S ATOM 0 H CYS A 226 68.555 -3.339 3.361 1.00 0.00 H new ATOM 0 HA CYS A 226 70.808 -4.567 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 226 68.823 -5.012 5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.912 -4.916 3.815 1.00 0.00 H new ATOM 0 HG CYS A 226 67.406 -7.352 4.835 1.00 0.00 H new ATOM 464 N PRO A 227 70.092 -6.350 1.573 1.00 0.00 N ATOM 465 CA PRO A 227 70.722 -7.290 0.656 1.00 0.00 C ATOM 466 C PRO A 227 70.559 -6.799 -0.829 1.00 0.00 C ATOM 467 O PRO A 227 71.168 -5.804 -1.235 1.00 0.00 O ATOM 468 CB PRO A 227 69.788 -8.481 0.934 1.00 0.00 C ATOM 469 CG PRO A 227 68.472 -7.800 1.224 1.00 0.00 C ATOM 470 CD PRO A 227 68.718 -6.317 1.245 1.00 0.00 C ATOM 0 HA PRO A 227 71.791 -7.462 0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.718 -9.151 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 227 70.131 -9.078 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.734 -8.054 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 227 68.071 -8.135 2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.521 -5.840 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.115 -5.796 1.989 1.00 0.00 H new ATOM 478 N GLN A 228 69.663 -7.460 -1.583 1.00 0.00 N ATOM 479 CA GLN A 228 69.333 -7.090 -2.920 1.00 0.00 C ATOM 480 C GLN A 228 67.822 -6.854 -2.924 1.00 0.00 C ATOM 481 O GLN A 228 67.162 -6.800 -3.963 1.00 0.00 O ATOM 482 CB GLN A 228 69.751 -8.211 -3.890 1.00 0.00 C ATOM 483 CG GLN A 228 69.590 -7.871 -5.366 1.00 0.00 C ATOM 484 CD GLN A 228 70.304 -6.592 -5.755 1.00 0.00 C ATOM 485 OE1 GLN A 228 69.725 -5.499 -5.700 1.00 0.00 O ATOM 486 NE2 GLN A 228 71.539 -6.708 -6.151 1.00 0.00 N ATOM 0 H GLN A 228 69.153 -8.278 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 228 69.856 -6.192 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.794 -8.465 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 228 69.162 -9.101 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 228 69.975 -8.694 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 228 68.529 -7.775 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 228 71.980 -7.627 -6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 228 72.065 -5.880 -6.430 1.00 0.00 H new ATOM 495 N HIS A 229 67.276 -6.768 -1.693 1.00 0.00 N ATOM 496 CA HIS A 229 65.915 -6.425 -1.477 1.00 0.00 C ATOM 497 C HIS A 229 65.717 -5.020 -2.000 1.00 0.00 C ATOM 498 O HIS A 229 66.198 -4.066 -1.417 1.00 0.00 O ATOM 499 CB HIS A 229 65.464 -6.528 0.015 1.00 0.00 C ATOM 500 CG HIS A 229 65.360 -7.974 0.644 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.672 -8.394 2.049 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.743 -9.018 0.069 1.00 0.00 C ATOM 503 CE1 HIS A 229 65.165 -9.560 2.137 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.625 -10.003 0.999 1.00 0.00 N ATOM 0 H HIS A 229 67.799 -6.942 -0.835 1.00 0.00 H new ATOM 0 HA HIS A 229 65.291 -7.145 -2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.161 -5.947 0.619 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.489 -6.050 0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 229 64.400 -9.067 -0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 229 65.172 -10.138 3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 229 64.199 -10.918 0.853 1.00 0.00 H new ATOM 512 N THR A 230 65.002 -4.940 -3.060 1.00 0.00 N ATOM 513 CA THR A 230 64.861 -3.747 -3.866 1.00 0.00 C ATOM 514 C THR A 230 63.938 -2.708 -3.260 1.00 0.00 C ATOM 515 O THR A 230 63.282 -2.940 -2.233 1.00 0.00 O ATOM 516 CB THR A 230 64.318 -4.127 -5.259 1.00 0.00 C ATOM 517 OG1 THR A 230 63.064 -4.815 -5.105 1.00 0.00 O ATOM 518 CG2 THR A 230 65.276 -5.038 -5.974 1.00 0.00 C ATOM 0 H THR A 230 64.468 -5.731 -3.421 1.00 0.00 H new ATOM 0 HA THR A 230 65.855 -3.303 -3.928 1.00 0.00 H new ATOM 0 HB THR A 230 64.190 -3.214 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.713 -5.058 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.873 -5.293 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.235 -4.534 -6.096 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.416 -5.948 -5.391 1.00 0.00 H new ATOM 526 N ASP A 231 63.864 -1.580 -3.936 1.00 0.00 N ATOM 527 CA ASP A 231 62.993 -0.476 -3.579 1.00 0.00 C ATOM 528 C ASP A 231 61.539 -0.877 -3.779 1.00 0.00 C ATOM 529 O ASP A 231 60.657 -0.393 -3.088 1.00 0.00 O ATOM 530 CB ASP A 231 63.307 0.761 -4.437 1.00 0.00 C ATOM 531 CG ASP A 231 63.005 0.573 -5.917 1.00 0.00 C ATOM 532 OD1 ASP A 231 63.738 -0.177 -6.599 1.00 0.00 O ATOM 533 OD2 ASP A 231 62.035 1.166 -6.415 1.00 0.00 O ATOM 0 H ASP A 231 64.422 -1.400 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 231 63.162 -0.229 -2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.731 1.607 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.360 1.015 -4.320 1.00 0.00 H new ATOM 538 N GLU A 232 61.311 -1.820 -4.681 1.00 0.00 N ATOM 539 CA GLU A 232 59.978 -2.317 -4.978 1.00 0.00 C ATOM 540 C GLU A 232 59.564 -3.193 -3.844 1.00 0.00 C ATOM 541 O GLU A 232 58.433 -3.194 -3.403 1.00 0.00 O ATOM 542 CB GLU A 232 60.017 -3.124 -6.247 1.00 0.00 C ATOM 543 CG GLU A 232 60.452 -2.333 -7.446 1.00 0.00 C ATOM 544 CD GLU A 232 60.573 -3.193 -8.648 1.00 0.00 C ATOM 545 OE1 GLU A 232 59.541 -3.480 -9.293 1.00 0.00 O ATOM 546 OE2 GLU A 232 61.689 -3.624 -8.965 1.00 0.00 O ATOM 0 H GLU A 232 62.049 -2.263 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 232 59.276 -1.493 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.695 -3.967 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.027 -3.539 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.734 -1.536 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.410 -1.856 -7.241 1.00 0.00 H new ATOM 553 N GLN A 233 60.531 -3.895 -3.354 1.00 0.00 N ATOM 554 CA GLN A 233 60.400 -4.732 -2.217 1.00 0.00 C ATOM 555 C GLN A 233 60.062 -3.936 -0.971 1.00 0.00 C ATOM 556 O GLN A 233 59.404 -4.427 -0.053 1.00 0.00 O ATOM 557 CB GLN A 233 61.641 -5.570 -2.074 1.00 0.00 C ATOM 558 CG GLN A 233 61.614 -6.726 -3.030 1.00 0.00 C ATOM 559 CD GLN A 233 62.771 -7.648 -2.907 1.00 0.00 C ATOM 560 OE1 GLN A 233 62.764 -8.569 -2.114 1.00 0.00 O ATOM 561 NE2 GLN A 233 63.733 -7.460 -3.750 1.00 0.00 N ATOM 0 H GLN A 233 61.470 -3.899 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 233 59.557 -5.409 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.523 -4.957 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.721 -5.939 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.696 -7.291 -2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.579 -6.339 -4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 233 63.697 -6.673 -4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 233 64.528 -8.099 -3.767 1.00 0.00 H new ATOM 570 N ARG A 234 60.560 -2.736 -0.921 1.00 0.00 N ATOM 571 CA ARG A 234 60.241 -1.828 0.154 1.00 0.00 C ATOM 572 C ARG A 234 58.834 -1.289 -0.066 1.00 0.00 C ATOM 573 O ARG A 234 58.016 -1.260 0.852 1.00 0.00 O ATOM 574 CB ARG A 234 61.264 -0.694 0.189 1.00 0.00 C ATOM 575 CG ARG A 234 62.692 -1.188 0.311 1.00 0.00 C ATOM 576 CD ARG A 234 62.949 -1.725 1.653 1.00 0.00 C ATOM 577 NE ARG A 234 63.440 -3.020 1.448 1.00 0.00 N ATOM 578 CZ ARG A 234 62.641 -4.011 1.367 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.509 -4.048 2.086 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.962 -4.973 0.592 1.00 0.00 N ATOM 0 H ARG A 234 61.198 -2.354 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 234 60.278 -2.345 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.168 -0.097 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.040 -0.036 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.879 -1.960 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.383 -0.370 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.672 -1.111 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.038 -1.740 2.251 1.00 0.00 H new ATOM 0 HE ARG A 234 64.445 -3.172 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 234 61.276 -3.276 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.882 -4.849 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.833 -4.933 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 234 62.347 -5.782 0.502 1.00 0.00 H new ATOM 594 N ARG A 235 58.551 -0.963 -1.315 1.00 0.00 N ATOM 595 CA ARG A 235 57.268 -0.396 -1.746 1.00 0.00 C ATOM 596 C ARG A 235 56.130 -1.327 -1.418 1.00 0.00 C ATOM 597 O ARG A 235 55.193 -0.946 -0.717 1.00 0.00 O ATOM 598 CB ARG A 235 57.301 -0.130 -3.262 1.00 0.00 C ATOM 599 CG ARG A 235 55.969 0.270 -3.896 1.00 0.00 C ATOM 600 CD ARG A 235 56.146 0.519 -5.389 1.00 0.00 C ATOM 601 NE ARG A 235 54.886 0.817 -6.096 1.00 0.00 N ATOM 602 CZ ARG A 235 54.793 1.306 -7.360 1.00 0.00 C ATOM 603 NH1 ARG A 235 55.893 1.552 -8.085 1.00 0.00 N ATOM 604 NH2 ARG A 235 53.595 1.526 -7.898 1.00 0.00 N ATOM 0 H ARG A 235 59.215 -1.084 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 235 57.110 0.541 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.027 0.660 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.665 -1.028 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.232 -0.517 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.585 1.169 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 235 56.836 1.351 -5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.607 -0.358 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 235 54.015 0.642 -5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 235 56.816 1.372 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 235 55.808 1.919 -9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 235 52.751 1.327 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 235 53.522 1.893 -8.847 1.00 0.00 H new ATOM 618 N THR A 236 56.265 -2.555 -1.872 1.00 0.00 N ATOM 619 CA THR A 236 55.252 -3.566 -1.766 1.00 0.00 C ATOM 620 C THR A 236 54.811 -3.801 -0.309 1.00 0.00 C ATOM 621 O THR A 236 53.646 -4.024 -0.049 1.00 0.00 O ATOM 622 CB THR A 236 55.731 -4.887 -2.442 1.00 0.00 C ATOM 623 OG1 THR A 236 54.608 -5.710 -2.779 1.00 0.00 O ATOM 624 CG2 THR A 236 56.655 -5.680 -1.530 1.00 0.00 C ATOM 0 H THR A 236 57.112 -2.880 -2.338 1.00 0.00 H new ATOM 0 HA THR A 236 54.371 -3.208 -2.298 1.00 0.00 H new ATOM 0 HB THR A 236 56.277 -4.606 -3.343 1.00 0.00 H new ATOM 0 HG1 THR A 236 54.923 -6.535 -3.204 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.968 -6.594 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.532 -5.079 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 236 56.127 -5.936 -0.611 1.00 0.00 H new ATOM 632 N VAL A 237 55.731 -3.669 0.623 1.00 0.00 N ATOM 633 CA VAL A 237 55.438 -3.914 2.007 1.00 0.00 C ATOM 634 C VAL A 237 54.762 -2.721 2.649 1.00 0.00 C ATOM 635 O VAL A 237 53.791 -2.866 3.387 1.00 0.00 O ATOM 636 CB VAL A 237 56.707 -4.328 2.777 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.498 -4.294 4.273 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.125 -5.714 2.345 1.00 0.00 C ATOM 0 H VAL A 237 56.695 -3.391 0.438 1.00 0.00 H new ATOM 0 HA VAL A 237 54.737 -4.747 2.056 1.00 0.00 H new ATOM 0 HB VAL A 237 57.493 -3.610 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.418 -4.593 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.229 -3.283 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.697 -4.981 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 237 58.023 -6.009 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.322 -6.420 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.332 -5.715 1.275 1.00 0.00 H new ATOM 648 N ARG A 238 55.229 -1.548 2.324 1.00 0.00 N ATOM 649 CA ARG A 238 54.682 -0.341 2.904 1.00 0.00 C ATOM 650 C ARG A 238 53.290 -0.104 2.360 1.00 0.00 C ATOM 651 O ARG A 238 52.384 0.243 3.097 1.00 0.00 O ATOM 652 CB ARG A 238 55.597 0.838 2.609 1.00 0.00 C ATOM 653 CG ARG A 238 57.011 0.585 3.077 1.00 0.00 C ATOM 654 CD ARG A 238 57.965 1.687 2.694 1.00 0.00 C ATOM 655 NE ARG A 238 57.782 2.912 3.492 1.00 0.00 N ATOM 656 CZ ARG A 238 57.448 4.120 3.006 1.00 0.00 C ATOM 657 NH1 ARG A 238 57.179 4.281 1.726 1.00 0.00 N ATOM 658 NH2 ARG A 238 57.392 5.161 3.817 1.00 0.00 N ATOM 0 H ARG A 238 55.988 -1.396 1.660 1.00 0.00 H new ATOM 0 HA ARG A 238 54.614 -0.451 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.599 1.036 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 238 55.207 1.731 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 238 57.014 0.470 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.364 -0.356 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 238 58.988 1.332 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.832 1.925 1.639 1.00 0.00 H new ATOM 0 HE ARG A 238 57.921 2.837 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 238 57.223 3.484 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 238 56.927 5.203 1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 238 57.602 5.047 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 238 57.139 6.079 3.452 1.00 0.00 H new ATOM 672 N VAL A 239 53.117 -0.374 1.088 1.00 0.00 N ATOM 673 CA VAL A 239 51.839 -0.185 0.431 1.00 0.00 C ATOM 674 C VAL A 239 50.851 -1.255 0.907 1.00 0.00 C ATOM 675 O VAL A 239 49.636 -1.053 0.946 1.00 0.00 O ATOM 676 CB VAL A 239 52.031 -0.205 -1.108 1.00 0.00 C ATOM 677 CG1 VAL A 239 52.157 -1.574 -1.696 1.00 0.00 C ATOM 678 CG2 VAL A 239 51.022 0.605 -1.834 1.00 0.00 C ATOM 0 H VAL A 239 53.853 -0.730 0.478 1.00 0.00 H new ATOM 0 HA VAL A 239 51.422 0.787 0.695 1.00 0.00 H new ATOM 0 HB VAL A 239 52.999 0.275 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 239 52.288 -1.496 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 239 53.020 -2.079 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 239 51.255 -2.147 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.213 0.549 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 239 50.025 0.219 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 239 51.086 1.643 -1.508 1.00 0.00 H new ATOM 688 N TYR A 240 51.398 -2.373 1.262 1.00 0.00 N ATOM 689 CA TYR A 240 50.635 -3.471 1.854 1.00 0.00 C ATOM 690 C TYR A 240 50.196 -3.142 3.292 1.00 0.00 C ATOM 691 O TYR A 240 49.012 -3.198 3.613 1.00 0.00 O ATOM 692 CB TYR A 240 51.491 -4.751 1.819 1.00 0.00 C ATOM 693 CG TYR A 240 51.017 -5.921 2.647 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.094 -6.828 2.159 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.527 -6.124 3.919 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.690 -7.904 2.926 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.138 -7.187 4.682 1.00 0.00 C ATOM 698 CZ TYR A 240 50.219 -8.075 4.188 1.00 0.00 C ATOM 699 OH TYR A 240 49.838 -9.148 4.955 1.00 0.00 O ATOM 0 H TYR A 240 52.393 -2.570 1.156 1.00 0.00 H new ATOM 0 HA TYR A 240 49.726 -3.624 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.566 -5.079 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.499 -4.493 2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.685 -6.694 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.249 -5.425 4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 240 48.965 -8.606 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.552 -7.327 5.669 1.00 0.00 H new ATOM 0 HH TYR A 240 50.306 -9.118 5.815 1.00 0.00 H new ATOM 709 N PHE A 241 51.141 -2.756 4.127 1.00 0.00 N ATOM 710 CA PHE A 241 50.872 -2.495 5.536 1.00 0.00 C ATOM 711 C PHE A 241 50.190 -1.170 5.806 1.00 0.00 C ATOM 712 O PHE A 241 49.144 -1.126 6.460 1.00 0.00 O ATOM 713 CB PHE A 241 52.162 -2.534 6.337 1.00 0.00 C ATOM 714 CG PHE A 241 52.620 -3.884 6.795 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.841 -4.656 7.645 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.839 -4.363 6.403 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.289 -5.894 8.085 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.296 -5.587 6.840 1.00 0.00 C ATOM 719 CZ PHE A 241 53.529 -6.357 7.678 1.00 0.00 C ATOM 0 H PHE A 241 52.113 -2.614 3.854 1.00 0.00 H new ATOM 0 HA PHE A 241 50.185 -3.284 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.953 -2.092 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 241 52.039 -1.899 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.877 -4.290 7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.454 -3.772 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.674 -6.493 8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.264 -5.943 6.521 1.00 0.00 H new ATOM 0 HZ PHE A 241 53.890 -7.317 8.017 1.00 0.00 H new ATOM 729 N LEU A 242 50.750 -0.106 5.293 1.00 0.00 N ATOM 730 CA LEU A 242 50.279 1.219 5.616 1.00 0.00 C ATOM 731 C LEU A 242 49.418 1.855 4.532 1.00 0.00 C ATOM 732 O LEU A 242 49.082 3.044 4.609 1.00 0.00 O ATOM 733 CB LEU A 242 51.410 2.155 6.134 1.00 0.00 C ATOM 734 CG LEU A 242 52.843 1.947 5.599 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.604 3.248 5.682 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.585 0.893 6.447 1.00 0.00 C ATOM 0 H LEU A 242 51.538 -0.130 4.646 1.00 0.00 H new ATOM 0 HA LEU A 242 49.599 1.079 6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 242 51.119 3.181 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.445 2.063 7.220 1.00 0.00 H new ATOM 0 HG LEU A 242 52.781 1.606 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.616 3.102 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 242 53.098 4.004 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.648 3.578 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.594 0.757 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.638 1.230 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.048 -0.054 6.401 1.00 0.00 H new ATOM 748 N GLY A 243 49.050 1.081 3.537 1.00 0.00 N ATOM 749 CA GLY A 243 48.078 1.556 2.606 1.00 0.00 C ATOM 750 C GLY A 243 48.616 1.845 1.231 1.00 0.00 C ATOM 751 O GLY A 243 49.818 2.032 1.049 1.00 0.00 O ATOM 0 H GLY A 243 49.405 0.141 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.282 0.816 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.627 2.465 3.004 1.00 0.00 H new